SCHEMBL30994589

SCHEMBL30994589

CC(C)(O)[C@@H]1C[C@@H](C(C)(C)O)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
GRIN2B Q13224 3/20 0.46
RORC P51449 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
AGTR2 P50052 1/20 0.44
ALDH1A1 P00352 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29333228 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL29333227 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL29333250 0.90 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL30994727 0.90 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL16472054 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL29333270 0.85 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL29333232 0.85 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL30994650 0.84 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2676211 0.84 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL12414619 0.83 PDK1 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed